Description

Rel-[1,1'-Biphenyl]-4-Carboxylic Acid (3Ar,4R,5R,6As)-Hexahydro-2-Oxo-4-[(1E)-3-Oxo-4-[3-(Trifluoromethyl)Phenoxy]-1-Buten-1-Yl]-2H-Cyclopenta[B]Furan-5-Yl Ester is a high-purity, complex organic ester with a defined stereochemistry, serving as a critical advanced intermediate in modern synthetic chemistry. Its value lies in its sophisticated molecular architecture, which incorporates a biphenyl carboxylic acid core and a trifluoromethylphenoxy-substituted butenyl side chain, making it an essential building block for creating molecules with targeted biological activity. This compound is primarily needed by research institutions and pharmaceutical companies engaged in the development of novel active pharmaceutical ingredients (APIs), agrochemicals, and other fine chemicals requiring precise structural motifs.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new drug candidates, particularly in oncology, antiviral, and anti-inflammatory therapeutic areas.
• Agrochemical Synthesis: Used as a precursor in the design and synthesis of advanced pesticides and herbicides, leveraging the trifluoromethyl group for enhanced bioactivity and stability.
• Chemical Research & Development: Serves as a versatile scaffold in medicinal chemistry for structure-activity relationship (SAR) studies and lead optimization.
• Process Chemistry: Employed in the scale-up and optimization of synthetic routes for complex molecules in pilot plant and commercial manufacturing settings.
• Reference Standard: Utilized as a high-purity analytical standard for quality control and method validation in analytical laboratories.
• Material Science Research: Investigated as a potential monomer or additive for creating specialized polymers with unique optical or electronic properties.

Basic Information

Product Name	Rel-[1,1'-Biphenyl]-4-Carboxylic Acid (3Ar,4R,5R,6As)-Hexahydro-2-Oxo-4-[(1E)-3-Oxo-4-[3-(Trifluoromethyl)Phenoxy]-1-Buten-1-Yl]-2H-Cyclopenta[B]Furan-5-Yl Ester
CAS No.	40695-33-8
Molecular Formula	C31H25F3O6
Molecular Weight	550.52 g/mol
Synonyms	(3aR,4R,5R,6aS)-Hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate; 4-Biphenylcarboxylic Acid (3aR,4R,5R,6aS)-Hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]-2H-cyclopenta[b]furan-5-yl Ester; Rel-5-([1,1'-Biphenyl]-4-carbonyloxy)-4-[(1E)-4-[3-(trifluoromethyl)phenoxy]-3-oxobut-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one; CAS 40695-33-8.
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and tested under a strict quality management system. We employ state-of-the-art analytical techniques including HPLC, GC, NMR, and MS to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing purity, chiral purity, and impurity profiles is provided with each shipment, supporting compliance with cGMP and ICH guidelines for pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The container should be kept tightly sealed in a dry environment to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 1.0%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Loss on Drying	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.